CID 65584

Noreximide

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)NC3=O
InChI
InChI=1S/C9H9NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h1-2,4-7H,3H2,(H,10,11,12)/t4-,5+,6+,7-
InChIKey
GPIUUMROPXDNRH-RNGGSSJXSA-N
Compound name
(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

67
Patents

163.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 135.1
[M+Na]+ 186.05254 144.9
[M-H]- 162.05604 137.3
[M+NH4]+ 181.09714 161.9
[M+K]+ 202.02648 141.8
[M+H-H2O]+ 146.06058 131.7
[M+HCOO]- 208.06152 155.0
[M+CH3COO]- 222.07717 149.0
[M+Na-2H]- 184.03799 137.0
[M]+ 163.06277 134.0
[M]- 163.06387 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe